[5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C18H18N4O2S — CID 77087272

IUPAC[5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCOCc1ccc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)s1
InChIInChI=1S/C18H18N4O2S/c1-24-11-13-4-5-16(25-13)18(23)22-8-6-14-15(10-22)21-17(20-14)12-3-2-7-19-9-12/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,21)
InChIKeyJJXURBYVRURNPQ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.88
Rot. Bonds4

About [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 77087272) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID77087272
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name[5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCOCc1ccc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)s1
InChIInChI=1S/C18H18N4O2S/c1-24-11-13-4-5-16(25-13)18(23)22-8-6-14-15(10-22)21-17(20-14)12-3-2-7-19-9-12/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,21)
InChIKeyJJXURBYVRURNPQ-UHFFFAOYSA-N
XLogP2.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 77087272) is [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is COCc1ccc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)s1.
What is the InChIKey of [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is JJXURBYVRURNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-11-13-4-5-16(25-13)18(23)22-8-6-14-15(10-22)21-17(20-14)12-3-2-7-19-9-12/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,21).
What are the key properties of [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 354.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)thiophen-2-yl]-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 77087272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).